4-Methylbenzyl alcohol

Details

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Internal ID fbafb3ea-232f-4ac1-84a4-72c176056e0b
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzyl alcohols
IUPAC Name (4-methylphenyl)methanol
SMILES (Canonical) CC1=CC=C(C=C1)CO
SMILES (Isomeric) CC1=CC=C(C=C1)CO
InChI InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChI Key KMTDMTZBNYGUNX-UHFFFAOYSA-N
Popularity 327 references in papers

Physical and Chemical Properties

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Molecular Formula C8H10O
Molecular Weight 122.16 g/mol
Exact Mass 122.073164938 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 1.60

Synonyms

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589-18-4
p-Tolylmethanol
p-Tolylcarbinol
(4-Methylphenyl)methanol
P-METHYLBENZYL ALCOHOL
4-Tolylcarbinol
Benzenemethanol, 4-methyl-
4-(Hydroxymethyl)toluene
Benzyl alcohol, p-methyl-
4-methylbenzylalcohol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Methylbenzyl alcohol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 91.84% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.05% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.78% 95.56%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.83% 90.24%
CHEMBL3401 O75469 Pregnane X receptor 81.77% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Artemisia adamsii
Ferula sinaica
Vitis vinifera

Cross-Links

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PubChem 11505
LOTUS LTS0184900
wikiData Q104933686